SCHEMBL17208781

SCHEMBL17208781

CNCCCOCCOCCOCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.67
▸ PRSS1 P07477 1/20 0.67
▸ PRSS2 P07478 1/20 0.67
▸ PRSS3 P35030 1/20 0.67
▸ TPSAB1 Q15661 1/20 0.67
▸ TDP1 Q9NUW8 5/20 0.62
▸ FOLH1 Q04609 3/20 0.61
▸ PKM P14618 3/20 0.60
▸ PLCD1 P51178 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ IDE P14735 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RIN1 Q13671 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CA12 O43570 2/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13791518 1.00 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL21894100 0.98 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16602282 0.97 F2 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24274183 0.93 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10298052 0.93 F2 (0.63) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16602280 0.93 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16421337 0.93 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12519525 0.92 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10036980 0.92 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16478828 0.92 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 — — US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 — — US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 — — US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 — — US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 — — US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 — — US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 — — US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 — — US disclosed
WO-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 F2 2831/4885PRSS1 3712/4885PRSS2 2006/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 F2 2831/4885PRSS1 3712/4885PRSS2 2006/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 F2 2831/4885PRSS1 3712/4885PRSS2 2006/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 F2 2831/4885PRSS1 3712/4885PRSS2 2006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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